5-methyl-4-(trifluoromethyl)-1H-pyrazole

C5H5F3N2 — CID 59018939

IUPAC5-methyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H5F3N2/c1-3-4(2-9-10-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyXXWMMOABJVHTQB-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.74
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-1H-pyrazole

5-methyl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 59018939) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID59018939
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name5-methyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H5F3N2/c1-3-4(2-9-10-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyXXWMMOABJVHTQB-UHFFFAOYSA-N
XLogP1.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89053312
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CID 1504097
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CID 1417882
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CID 16069792
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CID 18413344
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CID 22032288
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CID 55252177
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1H-pyrazole (CID 59018939) is 5-methyl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1H-pyrazole is Cc1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is XXWMMOABJVHTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-3-4(2-9-10-3)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 5-methyl-4-(trifluoromethyl)-1H-pyrazole?
5-methyl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 59018939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).